Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-850083 | Fe4S5 | data_[Fe8S10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Fe 1.8300 1.4000 0.8525
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P4/n]
_cell_length_a [7.8954]
_cell_length_b [7.8954]
_cell_length_c [10.0691]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-760347 | Li4Ti3VO8 | data_[Li12Ti9V3O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Ti 1.5400 1.4000 0.8517
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9127]
_cell_length_b [5.912... |
mp-1218494 | Sr3CaHf4O12 | data_[Sr3Ca1Hf4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ca 1.0000 1.8000 1.1400
Hf 1.3000 1.5500 0.8500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.7499]
_cell_length_b [8.2008... |
mp-1205857 | LuMgIn | data_[Lu3Mg3In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
Mg 1.3100 1.5000 0.8600
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.4684]
_cell_length_b [7.4684]
_cell_length_c [4.5865]
_c... |
mp-1228159 | Ba4(NbSe4)3 | data_[Ba8Nb6Se24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Nb 1.6000 1.4500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4652]
_cell_length_b [6.9963]
_cell_length_c [12.1236]
... |
mp-1095164 | Gd(BRu)2 | data_[Gd8B16Ru16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
B 2.0400 0.8500 0.4100
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.6192]
_cell_length_b [9.0050]
_cell_length_c [9.8461]
_ce... |
mp-775909 | ZrO2 | data_[Zr2O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.9344]
_cell_length_b [4.9344]
_cell_length_c [3.2834]
_cell_angle_alpha [90.0000]
_cell... |
mp-973564 | La2TlZn | data_[La8Tl4Zn4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Tl 1.6200 1.9000 1.3325
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7999]
_cell_length_b [7.7999]
_cell_length_c [7.7999]
_c... |
mp-1225973 | CsSm2Ti2NbO10 | data_[Cs2Sm4Ti4Nb2O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sm 1.1700 1.8500 1.2290
Ti 1.5400 1.4000 0.8517
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a... |
mp-1211720 | K2RbErV2O8 | data_[K2Rb1Er1V2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Rb 0.8200 2.3500 1.6600
Er 1.2400 1.7500 1.0300
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [... |
mp-1185852 | MgAu5 | data_[Mg1Au5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [5.0888]
_cell_length_b [5.0888]
_cell_length_c [4.8268]
_cell_angle_alpha [90.0000]
_cell_... |
mp-865811 | LaYbAg2 | data_[La4Yb4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Yb 1.1000 1.7500 1.0840
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5002]
_cell_length_b [7.5002]
_cell_length_c [7.5002]
_c... |
mp-1251981 | MnAlF5 | data_[Mn2Al2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Al 1.6100 1.2500 0.6750
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.6372]
_cell_length_b [6.3854]
_cell_length_c [7.6768]
_cel... |
mp-1222123 | Mg2ZnO3 | data_[Mg2Zn1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Zn 1.6500 1.3500 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.0330]
_cell_length_b [3.0330]
_cell_length_c [7.4033]
_cel... |
mp-555272 | Na5Zr2F13 | data_[Na10Zr4F26]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Zr 1.3300 1.5500 0.8600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7796]
_cell_length_b [5.5851]
_cell_length_c [8.5729]
_c... |
mp-1114393 | Rb2ScInBr6 | data_[Rb8Sc4In4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.6257]
_cell_length_b [... |
mp-984107 | K3IO5 | data_[K6I2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
I 2.6600 1.4000 1.2733
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [6.3195]
_cell_length_b [6.3195]
_cell_length_c [8.3367]
_cell_... |
mp-14333 | TaAlO4 | data_[Ta4Al4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Al 1.6100 1.2500 0.6750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2691]
_cell_length_b [3.8131]
_cell_length_c [6.5156]
_ce... |
mp-1189726 | TmZn3 | data_[Tm4Zn12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
Zn 1.6500 1.3500 0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6252]
_cell_length_b [4.3724]
_cell_length_c [10.0151]
_cell_angle_alpha [90.0000]
_cell... |
mp-14622 | Y(BIr)2 | data_[Y8B16Ir16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.8829]
_cell_length_b [9.3111]
_cell_length_c [10.8242]
_cel... |
mp-1186500 | Pm3Au | data_[Pm6Au2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.0023]
_cell_length_b [7.0023]
_cell_length_c [5.3363]
_cell_angle_alpha [90.0000]
_ce... |
mp-1029309 | Na2HfN2 | data_[Na2Hf1N2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Hf 1.3000 1.5500 0.8500
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.3108]
_cell_length_b [3.3108]
_cell_length_c [8.9765]
_cel... |
mp-1094588 | LiMg5 | data_[Li1Mg5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.1697]
_cell_length_b [3.1697]
_cell_length_c [15.3441]
_cell_angle_alpha [90.0000]
_cell... |
mp-580589 | Cs2NaErCl6 | data_[Cs8Na4Er4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Er 1.2400 1.7500 1.0300
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8729]
_cell_length_b [... |
mp-1028947 | MoW3(SeS)4 | data_[Mo1W3Se4S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2532]
_cell_length_b [3.2532]... |
mp-1227377 | BaSrZnWO6 | data_[Ba4Sr4Zn4W4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
Zn 1.6500 1.3500 0.8800
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_... |
mp-7621 | KTcO4 | data_[K4Tc4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Tc 1.9000 1.3500 0.7417
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.7890]
_cell_length_b [5.7890]
_cell_length_c [13.0968]
_ce... |
mp-865156 | Dy2ZnGa | data_[Dy8Zn4Ga4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.1411]
_cell_length_b [7.1411]
_cell_length_c [7.1411]
_c... |
mp-974430 | Re3Ir | data_[Re6Ir2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9038]
_cell_length_b [3.9038]
_cell_length_c [7.8399]
_cell_angle_alpha [90.0000]
_cell... |
mp-1183423 | Be3Co | data_[Be6Co2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Be 1.5700 1.0500 0.5900
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.0892]
_cell_length_b [3.0892]
_cell_length_c [6.9523]
_cell_angle_alpha [90.0000]
_cell... |
mp-755309 | Li3NbS4 | data_[Li3Nb1S4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Nb 1.6000 1.4500 0.8200
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P-43m]
_cell_length_a [6.1051]
_cell_length_b [6.1051]
_cell_length_c [6.1051]
_cel... |
mp-1223428 | LaCeNi10 | data_[La1Ce1Ni10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ce 1.1200 1.8500 1.0800
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9696]
_cell_length_b [4.9160]
_cell_length_c [8.5130]
_c... |
mp-862668 | CeHg3 | data_[Ce2Hg6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.8704]
_cell_length_b [6.8704]
_cell_length_c [5.0612]
_cell_angle_alpha [90.0000]
_ce... |
mp-865919 | MgAlAg2 | data_[Mg4Al4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.5309]
_cell_length_b [6.5309]
_cell_length_c [6.5309]
_c... |
mp-1174118 | Li3MnCoO5 | data_[Li6Mn2Co2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0312]
_cell_length_b [5.1217... |
mp-862821 | PaSnAu2 | data_[Pa4Sn4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Sn 1.9600 1.4500 0.8300
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0900]
_cell_length_b [7.0900]
_cell_length_c [7.0900]
_c... |
mp-542281 | KGdTe4 | data_[K2Gd2Te8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Gd 1.2000 1.8000 1.0750
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [6.8594]
_cell_length_b [6.8594]
_cell_length_c [8.9480]
_ce... |
mp-1220528 | Nd2VFeO6 | data_[Nd4V2Fe2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
V 1.6300 1.3500 0.7775
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5002]
_cell_length_b [5.69... |
mp-863741 | Pm2PdRu | data_[Pm8Pd4Ru4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Pd 2.2000 1.4000 0.8462
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0910]
_cell_length_b [7.0910]
_cell_length_c [7.0910]
_c... |
mp-20146 | Zr2Ni2Sn | data_[Zr4Ni4Sn2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Ni 1.9100 1.3500 0.7400
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.1321]
_cell_length_b [7.1321]
_cell_length_c [3.4345]
_... |
mp-34212 | SrRuO3 | data_[Sr4Ru4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.5868]
_cell_length_b [7.8938]
_cell_length_c [5.7118]
_cel... |
mp-1222185 | Mg3Cu(SnS4)2 | data_[Mg6Cu2Sn4S16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
Cu 1.9000 1.3500 0.8200
Sn 1.9600 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [7.4277]
_cell_length_b [7.60... |
mp-7542 | GeP3 | data_[Ge6P18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ge 2.0100 1.2500 0.7700
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.1133]
_cell_length_b [7.1133]
_cell_length_c [10.0736]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-16287 | NdRh3C | data_[Nd1Rh3C1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Rh 2.2800 1.3500 0.7450
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.2386]
_cell_length_b [4.2386]
_cell_length_c [4.2386]
_cel... |
mp-979968 | Yb2CdHg | data_[Yb8Cd4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Cd 1.6900 1.5500 1.0900
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5509]
_cell_length_b [7.5509]
_cell_length_c [7.5509]
_c... |
mp-10314 | Yb(ZnAs)2 | data_[Yb1Zn2As2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1836]
_cell_length_b [4.1836]
_cell_length_c [6.9650]
_c... |
mp-1184152 | Dy2GaAg | data_[Dy8Ga4Ag4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2446]
_cell_length_b [7.2446]
_cell_length_c [7.2446]
_c... |
mp-1189497 | La3Ni | data_[La12Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1631]
_cell_length_b [10.1556]
_cell_length_c [6.6173]
_cell_angle_alpha [90.0000]
_cell... |
mp-1025212 | InAsPt5 | data_[In1As1Pt5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
As 2.1800 1.1500 0.6600
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0650]
_cell_length_b [4.0650]
_cell_length_c [7.1648]
_... |
mp-1113427 | CsRb2AsF6 | data_[Cs4Rb8As4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Rb 0.8200 2.3500 1.6600
As 2.1800 1.1500 0.6600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.7453]
_cell_length_b [9.7... |
mp-982366 | Tb2S2O | data_[Tb8S8O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3181]
_cell_length_b [6.9644]
_cell_length_c [6.9151]
_cell... |
mp-1219944 | Pr2MnSn4 | data_[Pr4Mn2Sn8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Mn 1.5500 1.4000 0.8775
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6532]
_cell_length_b [4.6892]
_cell_length_c [17.2805]
_c... |
mp-961652 | ZrFeSb | data_[Zr4Fe4Sb4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Fe 1.8300 1.4000 0.8525
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.1802]
_cell_length_b [6.1802]
_cell_length_c [6.1802]
_c... |
mp-1104160 | Pr5Ir2 | data_[Pr20Ir8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.8374]
_cell_length_b [6.7603]
_cell_length_c [7.3762]
_cell_angle_alpha [90.0000]
_cell... |
mp-1185280 | Li3Te | data_[Li6Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.2301]
_cell_length_b [6.2301]
_cell_length_c [4.5627]
_cell_angle_alpha [90.0000]
_ce... |
mp-752893 | LiFeSiO4 | data_[Li4Fe4Si4O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
Si 1.9000 1.1000 0.5400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.7960]
_cell_length_b [4.9009... |
mp-1215526 | ZnFe3 | data_[Zn2Fe6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [2.9491]
_cell_length_b [4.0300]
_cell_length_c [8.1649]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-1104369 | NaV2O4 | data_[Na4V8O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.9023]
_cell_length_b [6.0830]
_cell_length_c [5.0261]
_cell... |
mp-30366 | Ca3Au | data_[Ca12Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8618]
_cell_length_b [9.9169]
_cell_length_c [6.8169]
_cell_angle_alpha [90.0000]
_cell_... |
mp-752964 | Li4Fe3(NiO5)2 | data_[Li4Fe3Ni2O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
Ni 1.9100 1.3500 0.7400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0986]
_cell_length_b [5.1003... |
mp-12923 | SrPIr | data_[Sr4P4Ir4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
P 2.1900 1.0000 0.5500
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [6.3836]
_cell_length_b [6.3836]
_cell_length_c [6.3836]
_cel... |
mp-1226208 | Cs2U2O7 | data_[Cs4U4O14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [14.5776]
_cell_length_b [4.3322]
_cell_length_c [7.7527]
_cell_a... |
mp-5431 | BaTeO3 | data_[Ba2Te2O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Te 2.1000 1.4000 1.2933
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.6548]
_cell_length_b [6.0746]
_cell_length_c [7.2569]
_ce... |
mp-1114493 | Rb3BiBr6 | data_[Rb12Bi4Br24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Bi 2.0200 1.6000 1.0350
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.2442]
_cell_length_b [12.2442]
_cell_length_c [12.244... |
mp-1209000 | Sc2CuB2Ir5 | data_[Sc4Cu2B4Ir10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
Cu 1.9000 1.3500 0.8200
B 2.0400 0.8500 0.4100
Ir 2.2000 1.3500 0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.3598]
_cell_length_b [9.... |
mp-1224030 | InCuO3 | data_[In3Cu3O9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.4473]
_cell_length_b [3.4473]
_cell_length_c [17.1216]
_cell... |
mp-1221607 | MnRe3B2 | data_[Mn8Re24B16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Re 1.9000 1.3500 0.7125
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [F222]
_cell_length_a [4.4878]
_cell_length_b [7.8415]
_cell_length_c [15.3561]
_c... |
mp-1205991 | LaBi2ClO4 | data_[La1Bi2Cl1O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Bi 2.0200 1.6000 1.0350
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9889]
_cell_length_b [3.9... |
mp-12504 | CeZnPt | data_[Ce4Zn4Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Zn 1.6500 1.3500 0.8800
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9526]
_cell_length_b [4.3438]
_cell_length_c [8.1243]
_ce... |
mp-1246413 | MgV3CrS8 | data_[Mg3V9Cr3S24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mg 1.3100 1.5000 0.8600
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.9607]
_cell_length_b [6.9607]... |
mp-1211143 | LiEuP | data_[Li4Eu4P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Eu 1.2000 1.8500 1.1985
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2776]
_cell_length_b [4.2854]
_cell_length_c [8.1245]
_cell... |
mp-570150 | CaAlSi | data_[Ca6Al6Si6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.2056]
_cell_length_b [4.2056]
_cell_length_c [26.2860... |
mp-569054 | La2Co3 | data_[La8Co12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Co 1.8800 1.3500 0.7683
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [4.7988]
_cell_length_b [10.3260]
_cell_length_c [7.7425]
_cell_angle_alpha [90.0000]
_cell... |
mp-861987 | PaIn3 | data_[Pa1In3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
In 1.7800 1.5500 0.9400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.6975]
_cell_length_b [4.6975]
_cell_length_c [4.6975]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1187850 | YHoMg2 | data_[Y4Ho4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Ho 1.2300 1.7500 1.0410
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5922]
_cell_length_b [7.5922]
_cell_length_c [7.5922]
_cel... |
mp-1078489 | HoAlCu | data_[Ho3Al3Cu3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9567]
_cell_length_b [6.9567]
_cell_length_c [4.0372]
_c... |
mp-1223852 | InGa(AgS2)2 | data_[In2Ga2Ag4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Ga 1.8100 1.3000 0.7600
Ag 1.9300 1.6000 1.0867
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.8517]
_cell_length_b [5.8517... |
mp-558078 | Rb2NaFeF6 | data_[Rb8Na4Fe4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Na 0.9300 1.8000 1.1600
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6153]
_cell_length_b [8.6... |
mp-1186610 | PmNdMg2 | data_[Pm4Nd4Mg8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Nd 1.1400 1.8500 1.2765
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7569]
_cell_length_b [7.7569]
_cell_length_c [7.7569]
_c... |
mp-1094578 | LiMg | data_[Li3Mg3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.1299]
_cell_length_b [3.1299]
_cell_length_c [14.8816]
_cell_angle_alpha [90.0000]
_cell_... |
mp-1177070 | Li5SbS | data_[Li10Sb2S2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sb 2.0500 1.4500 0.8300
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [12.8217]
_cell_length_b [4.3063]
_cell_length_c [4.3077]
_ce... |
mp-1112143 | Cs2NaPrCl6 | data_[Cs8Na4Pr4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Na 0.9300 1.8000 1.1600
Pr 1.1300 1.8500 1.0600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.1220]
_cell_length_b [... |
mp-22991 | CsVI3 | data_[Cs2V2I6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
V 1.6300 1.3500 0.7775
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.2898]
_cell_length_b [8.2898]
_cell_length_c [6.9640]
_ce... |
mp-11739 | KLaTe2 | data_[K3La3Te6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
La 1.1000 1.9500 1.1720
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.7237]
_cell_length_b [4.7237]
_cell_length_c [24.6553]
_cel... |
mp-510283 | CsGaSe3 | data_[Cs4Ga4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ga 1.8100 1.3000 0.7600
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9694]
_cell_length_b [13.2984]
_cell_length_c [6.9120]... |
mp-1209460 | Rb2Mo(OF2)2 | data_[Rb8Mo4O8F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [6.0732]
_cell_length_b [14.4... |
mp-754023 | Li3Mn5OF11 | data_[Li3Mn5O1F11]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4130]
_cell_length_b [5.7235]
... |
mp-768305 | Sr2HfO4 | data_[Sr4Hf2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Hf 1.3000 1.5500 0.8500
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1157]
_cell_length_b [4.1157]
_cell_length_c [12.8317]
_c... |
mp-1219189 | Sm(CuTe)3 | data_[Sm6Cu18Te18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Cu 1.9000 1.3500 0.8200
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.5162]
_cell_length_b [7.5162]
_cell_length_c [21.3284]
_... |
mp-556375 | Ba2LaSbO6 | data_[Ba4La2Sb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
La 1.1000 1.9500 1.1720
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1727]
_cell_length_b [6.... |
mp-1186498 | Pm3Cd | data_[Pm6Cd2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Cd 1.6900 1.5500 1.0900
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.1312]
_cell_length_b [7.1312]
_cell_length_c [5.5644]
_cell_angle_alpha [90.0000]
_ce... |
mp-1207011 | ScInNi4 | data_[Sc4In4Ni16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sc 1.3600 1.6000 0.8850
In 1.7800 1.5500 0.9400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.9053]
_cell_length_b [6.9053]
_cell_length_c [6.9053]
_... |
mp-1206788 | Tb2CdNi2 | data_[Tb4Cd2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
Cd 1.6900 1.5500 1.0900
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.8648]
_cell_length_b [14.1944]
_cell_length_c [3.6904]
_c... |
mp-1080709 | NdAu | data_[Nd4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.5753]
_cell_length_b [4.7932]
_cell_length_c [5.8585]
_cell_angle_alpha [90.0000]
_cell_a... |
mp-569978 | Na2Ti3Cl8 | data_[Na6Ti9Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ti 1.5400 1.4000 0.8517
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.9629]
_cell_length_b [6.9629]
_cell_length_c [20.5294]
_c... |
mp-1188203 | Rb2V(OF2)2 | data_[Rb8V4O8F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.5382]
_cell_length_b [8.7689]
... |
mp-1078168 | In2CuSe4 | data_[In4Cu2Se8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.7462]
_cell_length_b [5.7462]
_cell_length_c [11.5904]
_ce... |
mp-570482 | Ba(AlGe)2 | data_[Ba4Al8Ge8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Al 1.6100 1.2500 0.6750
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.2935]
_cell_length_b [4.3247]
_cell_length_c [11.0891]
_... |
mp-998612 | KGeBr3 | data_[K2Ge2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Ge 2.0100 1.2500 0.7700
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9876]
_cell_length_b [7.6457]
_cell_length_c [8.6236]
_ce... |
mp-10547 | RbAuO | data_[Rb8Au8O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Au 2.5400 1.3500 1.0700
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [10.1463]
_cell_length_b [10.1463]
_cell_length_c [5.9471]
_... |
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